4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1.272360408340593 stress="0.09269422549664555 -0.001288192810749343 0.009885950202317728 -0.001288192810749343 0.10400677782660599 0.0012024631714946613 0.009885950202317728 0.0012024631714946613 0.09832053860079296" pbc="T T T" user17 0.15639112 0.02922452 0.24928660 0.28133398 0.07451205 0.25090768 user17 1.73977898 1.41146110 -0.03001642 -0.06536017 -0.17448176 -0.11776922 user17 1.26314664 0.15032231 1.59199995 -0.57675895 0.20692920 -0.11975259 user17 0.27541892 1.58929043 1.60672208 0.36078514 -0.10695950 -0.01338587